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The molecular formula is C7H12O2S.
The molecular weight is 160.24 g/mol.
The IUPAC name is 3-(methylsulfanylmethyl)pentane-2,4-dione.
The InChI key is SYNOVGSBLUVTDT-UHFFFAOYSA-N.
The canonical SMILES representation is CC(=O)C(CSC)C(=O)C.
The XLogP3-AA value is 0.5.
The compound has 0 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The compound has 4 rotatable bond counts.
The topological polar surface area of the compound is 59.4 Ų.
4-Bromoheptane
2-Chloroheptane
1-Bromo-4-methylcyclohexane
1-(1-Methylcyclopropyl)acetone
1-Cyclopentyl-ethanone
3-(1-Methylcyclopropyl)propanoic acid
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